SCHEMBL7744884

SCHEMBL7744884

N#Cc1cnn(-c2ccnc3cc(Cl)ccc23)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NR4A2 P43354 1/20 0.47
SOS2 Q07890 1/20 0.47
CHKA P35790 1/20 0.46
ADRB2 P07550 1/20 0.44
NCF1 P14598 1/20 0.44
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 2/20 0.42
CYP3A4 P08684 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD3 P35462 1/20 0.42
OPRK1 P41145 1/20 0.42
PDE4D Q08499 1/20 0.42
KCNH2 Q12809 1/20 0.42
PDE3A Q14432 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6087464 0.83 NR4A2 (0.56) PKMALOX15CASP1HSD17B10NR4A2
SCHEMBL10608500 0.78 KMT2A (0.49) PKMKMT2AKDM4EMEN1ALDH1A1
SCHEMBL1457404 0.78 KMT2A (0.49) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL15209940 0.76 MALT1 (0.47) KMT2AKDM4EMEN1OPRK1
SCHEMBL8052663 0.76 KMT2A (0.47) PKMKMT2AKDM4EMEN1ALDH1A1
SCHEMBL8043513 0.76 KMT2A (0.52) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL10967579 0.76 KMT2A (0.52) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL1491099 0.75 NR4A2 (0.55) PKMALOX15CASP1HSD17B10NR4A2
SCHEMBL19642995 0.74 NR4A2 (0.56) PKMALOX15CASP1HSD17B10NR4A2
SCHEMBL8040568 0.72 KMT2A (0.47) HSD17B10KMT2AKDM4EMEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001002385-A1 1-(QUINOLIN-4-YL)-1H-PYRAZOLE DERIVATIVES AND THEIR USE AS FUNGICIDES AVENTIS CROPSCIENCE S.A. (FR) 2001-01-11 WO claimed